BORONAL

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H22O
Molecular Weight	206.3239
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of BORONAL

Structure Search

SMILES

C\C(C=O)=C/CC1=C(C)CCCC1(C)C

InChI

InChIKey=FJCQUJKUMKZEMH-YRNVUSSQSA-N

InChI=1S/C14H22O/c1-11(10-15)7-8-13-12(2)6-5-9-14(13,3)4/h7,10H,5-6,8-9H2,1-4H3/b11-7+

HIDE SMILES / InChI

Approval Year

Name

Type

Language

BORONAL

Common Name

English

2-BUTENAL, 2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-

Systematic Name

English

2-BUTENAL, 2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-, (2E)-

Systematic Name

English

1-CYCLOHEXENE-1-CROTONALDEHYDE, .ALPHA.,2,6,6-TETRAMETHYL-, (E)-

Systematic Name

English

2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2-BUTENAL, (2E)-

Systematic Name

English

2-BUTENAL, 2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-, (E)-

Systematic Name

English

2-METHYL-4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2-BUTENAL

Systematic Name

English

Code System Code Type Description

ECHA (EC/EINECS)

221-597-6

Created by admin on Sat Dec 16 10:36:52 GMT 2023 , Edited by admin on Sat Dec 16 10:36:52 GMT 2023

PRIMARY

FDA UNII

FM3V4NH1Y6

Created by admin on Sat Dec 16 10:36:52 GMT 2023 , Edited by admin on Sat Dec 16 10:36:52 GMT 2023

PRIMARY

CAS

3155-71-3

Created by admin on Sat Dec 16 10:36:52 GMT 2023 , Edited by admin on Sat Dec 16 10:36:52 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

EPA CompTox

DTXSID9052000

Created by admin on Sat Dec 16 10:36:52 GMT 2023 , Edited by admin on Sat Dec 16 10:36:52 GMT 2023

PRIMARY

CAS

14398-40-4

Created by admin on Sat Dec 16 10:36:52 GMT 2023 , Edited by admin on Sat Dec 16 10:36:52 GMT 2023

PRIMARY

PUBCHEM

5369997

Created by admin on Sat Dec 16 10:36:52 GMT 2023 , Edited by admin on Sat Dec 16 10:36:52 GMT 2023

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SUBSTANCE RECORD


					FM3V4NH1Y6

BORONAL